oxolan-3-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate

C25H29N3O4 — CID 70805428

IUPACoxolan-3-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
SMILESCCOc1ccc2c(N)c(-c3ccc(NC(=O)OC4CCOC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C25H29N3O4/c1-2-31-19-10-11-21-22(14-19)28(18-4-3-5-18)24(23(21)26)16-6-8-17(9-7-16)27-25(29)32-20-12-13-30-15-20/h6-11,14,18,20H,2-5,12-13,15,26H2,1H3,(H,27,29)
InChIKeyDSLJEXVKMIEZST-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.35
Rot. Bonds6

About oxolan-3-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate

oxolan-3-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate (PubChem CID 70805428) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is oxolan-3-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nameoxolan-3-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
PubChem CID70805428
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Nameoxolan-3-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
SMILESCCOc1ccc2c(N)c(-c3ccc(NC(=O)OC4CCOC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C25H29N3O4/c1-2-31-19-10-11-21-22(14-19)28(18-4-3-5-18)24(23(21)26)16-6-8-17(9-7-16)27-25(29)32-20-12-13-30-15-20/h6-11,14,18,20H,2-5,12-13,15,26H2,1H3,(H,27,29)
InChIKeyDSLJEXVKMIEZST-UHFFFAOYSA-N
XLogP5.35
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate?
The IUPAC name of oxolan-3-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate (CID 70805428) is oxolan-3-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for oxolan-3-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for oxolan-3-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate is CCOc1ccc2c(N)c(-c3ccc(NC(=O)OC4CCOC4)cc3)n(C3CCC3)c2c1.
What is the InChIKey of oxolan-3-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate?
The InChIKey is DSLJEXVKMIEZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-2-31-19-10-11-21-22(14-19)28(18-4-3-5-18)24(23(21)26)16-6-8-17(9-7-16)27-25(29)32-20-12-13-30-15-20/h6-11,14,18,20H,2-5,12-13,15,26H2,1H3,(H,27,29).
What are the key properties of oxolan-3-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate?
oxolan-3-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate has a molecular weight of 435.52 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 70805428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).